N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide

C20H13BrN4O6 — CID 4046814

IUPACN'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide
SMILESO=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C20H13BrN4O6/c21-18-12-16(25(30)31)10-11-17(18)20(27)23(14-6-8-15(9-7-14)24(28)29)22-19(26)13-4-2-1-3-5-13/h1-12H,(H,22,26)
InChIKeyXHNUZENOEKEKHS-UHFFFAOYSA-N
MW485.25 g/mol
LogP4.26
Rot. Bonds5

About N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide

N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide (PubChem CID 4046814) has the molecular formula C20H13BrN4O6 and a molecular weight of 485.25 g/mol. Its IUPAC name is N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide
PubChem CID4046814
Molecular FormulaC20H13BrN4O6
Molecular Weight485.25 g/mol
Exact Mass484.00
IUPAC NameN'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide
SMILESO=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C20H13BrN4O6/c21-18-12-16(25(30)31)10-11-17(18)20(27)23(14-6-8-15(9-7-14)24(28)29)22-19(26)13-4-2-1-3-5-13/h1-12H,(H,22,26)
InChIKeyXHNUZENOEKEKHS-UHFFFAOYSA-N
XLogP4.26
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzamido-1-(4-nitrophenyl)thiourea
CID 174603040
N-[(Z)-[2-(N-benzamidoanilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide
CID 10529605
2-[(2-bromo-4-nitrobenzoyl)-methylamino]propanoic acid
CID 119359212
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
2-bromo-4-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 155490129
2,4-dinitro-N',N'-diphenylbenzohydrazide
CID 56698403
N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide
CID 150690704
benzoyl bromide;1,3-dinitrobenzene
CID 174634067
N'-benzoyl-2-hydroxy-5-nitrobenzohydrazide
CID 3351512
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-(3-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide?
The IUPAC name of N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide (CID 4046814) is N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide is O=C(NN(C(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide?
The InChIKey is XHNUZENOEKEKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O6/c21-18-12-16(25(30)31)10-11-17(18)20(27)23(14-6-8-15(9-7-14)24(28)29)22-19(26)13-4-2-1-3-5-13/h1-12H,(H,22,26).
What are the key properties of N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide?
N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide has a molecular weight of 485.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-2-bromo-4-nitro-N-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 4046814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).